2-chloro-4-(trifluoromethoxy)-1,3,5-triazine

C4HClF3N3O — CID 19104351

IUPAC2-chloro-4-(trifluoromethoxy)-1,3,5-triazine
SMILESFC(F)(F)Oc1ncnc(Cl)n1
InChIInChI=1S/C4HClF3N3O/c5-2-9-1-10-3(11-2)12-4(6,7)8/h1H
InChIKeyHKDQBHAMDWPBPE-UHFFFAOYSA-N
MW199.52 g/mol
LogP1.42
Rot. Bonds1

About 2-chloro-4-(trifluoromethoxy)-1,3,5-triazine

2-chloro-4-(trifluoromethoxy)-1,3,5-triazine (PubChem CID 19104351) has the molecular formula C4HClF3N3O and a molecular weight of 199.52 g/mol. Its IUPAC name is 2-chloro-4-(trifluoromethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(trifluoromethoxy)-1,3,5-triazine
PubChem CID19104351
Molecular FormulaC4HClF3N3O
Molecular Weight199.52 g/mol
Exact Mass198.98
IUPAC Name2-chloro-4-(trifluoromethoxy)-1,3,5-triazine
SMILESFC(F)(F)Oc1ncnc(Cl)n1
InChIInChI=1S/C4HClF3N3O/c5-2-9-1-10-3(11-2)12-4(6,7)8/h1H
InChIKeyHKDQBHAMDWPBPE-UHFFFAOYSA-N
XLogP1.42
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.52
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-4-fluoro-1,3,5-triazine
CID 54066451
2-Trifluoro-methoxy-1,3,5-triazine
CID 21749684
2-Fluoro-4-(trichloromethoxy)-1,3,5-triazine
CID 19104341
2-Fluoro-4-(trifluoromethoxy)-1,3,5-triazine
CID 19104342
2,4-Bis(trifluoromethoxy)-1,3,5-triazine
CID 19104346
2-(Fluoromethoxy)-1,3,5-triazine
CID 19104354
2-[Chloro(difluoro)methoxy]-1,3,5-triazine
CID 19104360
2-Methoxy-4-(trifluoromethoxy)-1,3,5-triazine
CID 19777656
4-[chloro(difluoro)methoxy]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 56981742
2-(Difluoromethoxy)-1,3,5-triazine
CID 70378207
2-Chloro-4-(difluoromethoxy)-1,3,5-triazine
CID 88425688
2,4-Bis(difluoromethoxy)-1,3,5-triazine
CID 91351378

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(trifluoromethoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(trifluoromethoxy)-1,3,5-triazine (CID 19104351) is 2-chloro-4-(trifluoromethoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(trifluoromethoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(trifluoromethoxy)-1,3,5-triazine is FC(F)(F)Oc1ncnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(trifluoromethoxy)-1,3,5-triazine?
The InChIKey is HKDQBHAMDWPBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF3N3O/c5-2-9-1-10-3(11-2)12-4(6,7)8/h1H.
What are the key properties of 2-chloro-4-(trifluoromethoxy)-1,3,5-triazine?
2-chloro-4-(trifluoromethoxy)-1,3,5-triazine has a molecular weight of 199.52 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(trifluoromethoxy)-1,3,5-triazine is sourced from PubChem (CID 19104351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).